N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide

C30H26N2O2S — CID 3606382

IUPACN-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1ccc2oc(SCc3ccc(C(=O)NC(Cc4ccccc4)c4ccccc4)cc3)nc2c1
InChIInChI=1S/C30H26N2O2S/c1-21-12-17-28-27(18-21)32-30(34-28)35-20-23-13-15-25(16-14-23)29(33)31-26(24-10-6-3-7-11-24)19-22-8-4-2-5-9-22/h2-18,26H,19-20H2,1H3,(H,31,33)
InChIKeyAZBIOSAVQASIJD-UHFFFAOYSA-N
MW478.62 g/mol
LogP7.14
Rot. Bonds8

About N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide

N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 3606382) has the molecular formula C30H26N2O2S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
PubChem CID3606382
Molecular FormulaC30H26N2O2S
Molecular Weight478.62 g/mol
Exact Mass478.17
IUPAC NameN-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1ccc2oc(SCc3ccc(C(=O)NC(Cc4ccccc4)c4ccccc4)cc3)nc2c1
InChIInChI=1S/C30H26N2O2S/c1-21-12-17-28-27(18-21)32-30(34-28)35-20-23-13-15-25(16-14-23)29(33)31-26(24-10-6-3-7-11-24)19-22-8-4-2-5-9-22/h2-18,26H,19-20H2,1H3,(H,31,33)
InChIKeyAZBIOSAVQASIJD-UHFFFAOYSA-N
XLogP7.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.62
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide
CID 42754471
N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 4039834
3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1200685
(4-ethylpiperazin-1-yl)-[3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone
CID 1200687
5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 4618163
4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N,N-dimethylbenzamide
CID 78761799
N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
CID 7493434
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042
N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
CID 28577439
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
1-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 54936860

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide (CID 3606382) is N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide is Cc1ccc2oc(SCc3ccc(C(=O)NC(Cc4ccccc4)c4ccccc4)cc3)nc2c1.
What is the InChIKey of N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is AZBIOSAVQASIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2S/c1-21-12-17-28-27(18-21)32-30(34-28)35-20-23-13-15-25(16-14-23)29(33)31-26(24-10-6-3-7-11-24)19-22-8-4-2-5-9-22/h2-18,26H,19-20H2,1H3,(H,31,33).
What are the key properties of N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide?
N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 478.62 g/mol, XLogP of 7.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 3606382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).